CID 15672465

2-(4-benzoyl-3-hydroxyphenoxy)ethyl (2-methyl)-2-propenoat

Structural Information

Molecular Formula

C₁₉H₁₈O₅

SMILES

CC(=C)C(=O)OCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C19H18O5/c1-13(2)19(22)24-11-10-23-15-8-9-16(17(20)12-15)18(21)14-6-4-3-5-7-14/h3-9,12,20H,1,10-11H2,2H3

InChIKey

DOZGRCMRCPSZHG-UHFFFAOYSA-N

Compound name

2-(4-benzoyl-3-hydroxyphenoxy)ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 903
Patents: 326.11542 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	327.122696	175.0
[M+Na]+	349.104638	180.3
[M-H]-	325.108144	180.0
[M+NH4]+	344.149243	187.6
[M+K]+	365.078578	177.4
[M+H-H2O]+	309.112680	166.8
[M+HCOO]-	371.113621	194.7
[M+CH3COO]-	385.129271	206.7
[M+Na-2H]-	347.090086	175.0
[M]+	326.11487142	177.8
[M]-	326.11596858	177.8

Literature stripe

literature stripe

Patent stripe

patents stripe